3-(aminomethyl)-N-ethyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxamide

Systemtic Name: 3-(aminomethyl)-N-ethyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxamide Openeye Name: 3-(aminomethyl)-N-ethyl-2-isobutyl-1-oxo-4-phenyl-isoquinoline-6-carboxamide CAS Name: 3-(aminomethyl)-N-ethyl-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinecarboxamide IUPAC Name: 3-(aminomethyl)-N-ethyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide Traditional Name: 3-(aminomethyl)-N-ethyl-2-isobutyl-1-keto-4-phenyl-isoquinoline-6-carboxamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CN)CC(C)C

Isomeric SMILES

CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=C2C3=CC=CC=C3)CN)CC(C)C

InChI

InChI=1S/C23H27N3O2/c1-4-25-22(27)17-10-11-18-19(12-17)21(16-8-6-5-7-9-16)20(13-24)26(23(18)28)14-15(2)3/h5-12,15H,4,13-14,24H2,1-3H3,(H,25,27)