propan-2-yl 2,4-dimethyl-5-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[[6-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methylcarbamoyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C23H33N5O3 MolecularWeight: 427.53982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC2=CN=C(C=C2)N3CCCN(CC3)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCC2=CN=C(C=C2)N3CCCN(CC3)C

InChI

InChI=1S/C23H33N5O3/c1-15(2)31-23(30)20-16(3)21(26-17(20)4)22(29)25-14-18-7-8-19(24-13-18)28-10-6-9-27(5)11-12-28/h7-8,13,15,26H,6,9-12,14H2,1-5H3,(H,25,29)