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

Systemtic Name: 3-(aminomethyl)-N-methyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-6-carboxamide Openeye Name: 3-(aminomethyl)-2-isobutyl-N-methyl-1-oxo-4-phenyl-isoquinoline-6-carboxamide CAS Name: 3-(aminomethyl)-N-methyl-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinecarboxamide IUPAC Name: 3-(aminomethyl)-N-methyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-6-carboxamide Traditional Name: 3-(aminomethyl)-2-isobutyl-1-keto-N-methyl-4-phenyl-isoquinoline-6-carboxamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)NC)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C(=O)NC)C3=CC=CC=C3)CN

InChI

InChI=1S/C22H25N3O2/c1-14(2)13-25-19(12-23)20(15-7-5-4-6-8-15)18-11-16(21(26)24-3)9-10-17(18)22(25)27/h4-11,14H,12-13,23H2,1-3H3,(H,24,26)