N'-(3-aminophenyl)carbonyl-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carbohydrazide

Systemtic Name: N'-(3-aminophenyl)carbonyl-1-(2-oxidanylidenepropyl)-3,4-dihydro-1H-isoquinoline-2-carbohydrazide Openeye Name: 1-acetonyl-N'-(3-aminobenzoyl)-3,4-dihydro-1H-isoquinoline-2-carbohydrazide CAS Name: N'-[(3-aminophenyl)-oxomethyl]-1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carbohydrazide IUPAC Name: N'-(3-aminobenzoyl)-1-(2-oxopropyl)-3,4-dihydro-1H-isoquinoline-2-carbohydrazide Traditional Name: 1-acetonyl-N'-(3-aminobenzoyl)-3,4-dihydro-1H-isoquinoline-2-carbohydrazide Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C2=CC=CC=C2CCN1C(=O)NNC(=O)C3=CC(=CC=C3)N

Isomeric SMILES

CC(=O)CC1C2=CC=CC=C2CCN1C(=O)NNC(=O)C3=CC(=CC=C3)N

InChI

InChI=1S/C20H22N4O3/c1-13(25)11-18-17-8-3-2-5-14(17)9-10-24(18)20(27)23-22-19(26)15-6-4-7-16(21)12-15/h2-8,12,18H,9-11,21H2,1H3,(H,22,26)(H,23,27)