(4S)-2,7,7-trimethyl-4-(4-methyl-3-nitro-phenyl)-3-piperidin-1-ylcarbonyl-4,4a,6,8-tetrahydroquinolin-5-one

Systemtic Name: (4S)-2,7,7-trimethyl-4-(4-methyl-3-nitro-phenyl)-3-piperidin-1-ylcarbonyl-4,4a,6,8-tetrahydroquinolin-5-one Openeye Name: (4S)-2,7,7-trimethyl-4-(4-methyl-3-nitro-phenyl)-3-(piperidine-1-carbonyl)-4,4a,6,8-tetrahydroquinolin-5-one CAS Name: (4S)-2,7,7-trimethyl-4-(4-methyl-3-nitrophenyl)-3-[oxo(1-piperidinyl)methyl]-4,4a,6,8-tetrahydroquinolin-5-one IUPAC Name: (4S)-2,7,7-trimethyl-4-(4-methyl-3-nitrophenyl)-3-(piperidine-1-carbonyl)-4,4a,6,8-tetrahydroquinolin-5-one Traditional Name: (4S)-2,7,7-trimethyl-4-(4-methyl-3-nitro-phenyl)-3-(piperidine-1-carbonyl)-4,4a,6,8-tetrahydroquinolin-5-one Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)N4CCCCC4)C)CC(CC3=O)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)N4CCCCC4)C)CC(CC3=O)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O4/c1-15-8-9-17(12-19(15)28(31)32)22-21(24(30)27-10-6-5-7-11-27)16(2)26-18-13-25(3,4)14-20(29)23(18)22/h8-9,12,22-23H,5-7,10-11,13-14H2,1-4H3/t22-,23?/m0/s1