N-[3-(azepan-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-yl)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[3-(1-azepanyl)propyl]-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-yl)propyl]-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NCCCN4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NCCCN4CCCCCC4

InChI

InChI=1S/C26H32N4O2/c1-32-24-14-7-6-13-23(24)29-25-21-12-5-4-11-20(21)22(19-28-25)26(31)27-15-10-18-30-16-8-2-3-9-17-30/h4-7,11-14,19H,2-3,8-10,15-18H2,1H3,(H,27,31)(H,28,29)