N'-(2-azanylethyl)-1-(3-ethoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboximidamide

Systemtic Name: N'-(2-azanylethyl)-1-(3-ethoxyphenyl)carbonyl-6,7-dimethoxy-isoquinoline-4-carboximidamide Openeye Name: N'-(2-aminoethyl)-1-(3-ethoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxamidine CAS Name: N'-(2-aminoethyl)-1-[(3-ethoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinecarboximidamide IUPAC Name: N'-(2-aminoethyl)-1-(3-ethoxybenzoyl)-6,7-dimethoxyisoquinoline-4-carboximidamide Traditional Name: N'-(2-aminoethyl)-1-(3-ethoxybenzoyl)-6,7-dimethoxy-isoquinoline-4-carboxamidine Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=NCCN)N

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)C(=NCCN)N

InChI

InChI=1S/C23H26N4O4/c1-4-31-15-7-5-6-14(10-15)22(28)21-17-12-20(30-3)19(29-2)11-16(17)18(13-27-21)23(25)26-9-8-24/h5-7,10-13H,4,8-9,24H2,1-3H3,(H2,25,26)