N-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1-oxidanylidene-N-(phenylmethyl)isoquinoline-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1-oxidanylidene-N-(phenylmethyl)isoquinoline-4-carboxamide Openeye Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1-oxo-N-(phenylmethyl)-4-isoquinolinecarboxamide IUPAC Name: N-benzyl-N-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-benzyl-N-(2-dimethylaminoethyl)-1-keto-2-(4-methoxyphenyl)isoquinoline-4-carboxamide Formula: C28H29N3O3 MolecularWeight: 455.54816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H29N3O3/c1-29(2)17-18-30(19-21-9-5-4-6-10-21)27(32)26-20-31(22-13-15-23(34-3)16-14-22)28(33)25-12-8-7-11-24(25)26/h4-16,20H,17-19H2,1-3H3