N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-[4-methyl-2-(1-piperidyl)-6-quinolyl]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanamide CAS Name: N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide Traditional Name: 4-keto-N-(4-methyl-2-piperidino-6-quinolyl)-4-[4-(4-nitrophenyl)piperazino]butyramide Formula: C29H34N6O4 MolecularWeight: 530.61806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCCC5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N5CCCCC5

InChI

InChI=1S/C29H34N6O4/c1-21-19-27(33-13-3-2-4-14-33)31-26-10-5-22(20-25(21)26)30-28(36)11-12-29(37)34-17-15-32(16-18-34)23-6-8-24(9-7-23)35(38)39/h5-10,19-20H,2-4,11-18H2,1H3,(H,30,36)