[4-[bis(butylcarbamoyl)amino]-6,7-dimethoxy-1-methyl-isoquinolin-3-yl] N,N-diethylcarbamate

Systemtic Name: [4-[bis(butylcarbamoyl)amino]-6,7-dimethoxy-1-methyl-isoquinolin-3-yl] N,N-diethylcarbamate Openeye Name: [4-[bis(butylcarbamoyl)amino]-6,7-dimethoxy-1-methyl-3-isoquinolyl] N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid [4-[bis[butylamino(oxo)methyl]amino]-6,7-dimethoxy-1-methyl-3-isoquinolinyl] ester IUPAC Name: [4-[bis(butylcarbamoyl)amino]-6,7-dimethoxy-1-methylisoquinolin-3-yl] N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid [4-[bis(butylcarbamoyl)amino]-6,7-dimethoxy-1-methyl-3-isoquinolyl] ester Formula: C27H41N5O6 MolecularWeight: 531.64434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1=C(N=C(C2=CC(=C(C=C21)OC)OC)C)OC(=O)N(CC)CC)C(=O)NCCCC

Isomeric SMILES

CCCCNC(=O)N(C1=C(N=C(C2=CC(=C(C=C21)OC)OC)C)OC(=O)N(CC)CC)C(=O)NCCCC

InChI

InChI=1S/C27H41N5O6/c1-8-12-14-28-25(33)32(26(34)29-15-13-9-2)23-20-17-22(37-7)21(36-6)16-19(20)18(5)30-24(23)38-27(35)31(10-3)11-4/h16-17H,8-15H2,1-7H3,(H,28,33)(H,29,34)