N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CN=C(C3=CC=CC=C32)NC4=CC=CC=C4OC)OCC

InChI

InChI=1S/C29H31N3O4/c1-4-35-26-15-14-20(18-27(26)36-5-2)16-17-30-29(33)23-19-31-28(22-11-7-6-10-21(22)23)32-24-12-8-9-13-25(24)34-3/h6-15,18-19H,4-5,16-17H2,1-3H3,(H,30,33)(H,31,32)