2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-3-quinolin-2-yl-propanenitrile

Systemtic Name: 2-[(2S)-2-methyl-4-(phenylcarbonyl)piperazin-1-yl]-3-oxidanylidene-3-quinolin-2-yl-propanenitrile Openeye Name: 2-[(2S)-4-benzoyl-2-methyl-piperazin-1-yl]-3-oxo-3-(2-quinolyl)propanenitrile CAS Name: 2-[(2S)-4-benzoyl-2-methyl-1-piperazinyl]-3-oxo-3-(2-quinolinyl)propanenitrile IUPAC Name: 2-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]-3-oxo-3-quinolin-2-ylpropanenitrile Traditional Name: 2-[(2S)-4-benzoyl-2-methyl-piperazino]-3-keto-3-(2-quinolyl)propionitrile Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(C#N)C(=O)C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CN(CCN1C(C#N)C(=O)C2=NC3=CC=CC=C3C=C2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2/c1-17-16-27(24(30)19-8-3-2-4-9-19)13-14-28(17)22(15-25)23(29)21-12-11-18-7-5-6-10-20(18)26-21/h2-12,17,22H,13-14,16H2,1H3/t17-,22?/m0/s1