[2-[(2-azanyl-2-methyl-propanoyl)amino]-1-[3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-6-yl] hydrogen carbonate; benzamide; hydrochloride

Systemtic Name: [2-[(2-azanyl-2-methyl-propanoyl)amino]-1-[3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-6-yl] hydrogen carbonate; benzamide; hydrochloride Openeye Name: [2-[(2-amino-2-methyl-propanoyl)amino]-1-[3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-6-yl] hydrogen carbonate; benzamide; hydrochloride CAS Name: benzamide; carbonic acid [2-[(2-amino-2-methyl-1-oxopropyl)amino]-1-[3-(1H-indol-3-yl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester; hydrochloride IUPAC Name: [2-[(2-amino-2-methylpropanoyl)amino]-1-[3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-6-yl] hydrogen carbonate; benzamide; hydrochloride Traditional Name: benzamide; carbonic acid [2-[(2-amino-2-methyl-propanoyl)amino]-1-[3-(1H-indol-3-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-6-yl] ester; hydrochloride Formula: C32H36ClN5O6 MolecularWeight: 622.11114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NN1CCC2=C(C1C(=O)CCC3=CNC4=CC=CC=C43)C=CC(=C2)OC(=O)O)N.C1=CC=C(C=C1)C(=O)N.Cl

Isomeric SMILES

CC(C)(C(=O)NN1CCC2=C(C1C(=O)CCC3=CNC4=CC=CC=C43)C=CC(=C2)OC(=O)O)N.C1=CC=C(C=C1)C(=O)N.Cl

InChI

InChI=1S/C25H28N4O5.C7H7NO.ClH/c1-25(2,26)23(31)28-29-12-11-15-13-17(34-24(32)33)8-9-19(15)22(29)21(30)10-7-16-14-27-20-6-4-3-5-18(16)20;8-7(9)6-4-2-1-3-5-6;/h3-6,8-9,13-14,22,27H,7,10-12,26H2,1-2H3,(H,28,31)(H,32,33);1-5H,(H2,8,9);1H