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

Systemtic Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-N-(phenylmethyl)isoquinoline-6-carboxamide hydrochloride Openeye Name: 3-(aminomethyl)-N-benzyl-2-isobutyl-1-oxo-4-phenyl-isoquinoline-6-carboxamide hydrochloride CAS Name: 3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-N-(phenylmethyl)-6-isoquinolinecarboxamide hydrochloride IUPAC Name: 3-(aminomethyl)-N-benzyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide hydrochloride Traditional Name: 3-(aminomethyl)-N-benzyl-2-isobutyl-1-keto-4-phenyl-isoquinoline-6-carboxamide hydrochloride Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4)CN.Cl

InChI

InChI=1S/C28H29N3O2.ClH/c1-19(2)18-31-25(16-29)26(21-11-7-4-8-12-21)24-15-22(13-14-23(24)28(31)33)27(32)30-17-20-9-5-3-6-10-20;/h3-15,19H,16-18,29H2,1-2H3,(H,30,32);1H