8-(4,4-diphenylpiperidin-1-yl)-1-[5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3-yl]octan-1-one

Systemtic Name: 8-(4,4-diphenylpiperidin-1-yl)-1-[5-ethanoyl-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3-yl]octan-1-one Openeye Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridyl]-8-(4,4-diphenyl-1-piperidyl)octan-1-one CAS Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinyl]-8-(4,4-diphenyl-1-piperidinyl)-1-octanone IUPAC Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)pyridin-3-yl]-8-(4,4-diphenylpiperidin-1-yl)octan-1-one Traditional Name: 1-[5-acetyl-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridyl]-8-(4,4-diphenylpiperidino)octan-1-one Formula: C40H45N3O4 MolecularWeight: 631.803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCCCCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CCCCCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C40H45N3O4/c1-29-37(31(3)44)39(32-16-15-21-35(28-32)43(46)47)38(30(2)41-29)36(45)22-13-5-4-6-14-25-42-26-23-40(24-27-42,33-17-9-7-10-18-33)34-19-11-8-12-20-34/h7-12,15-21,28H,4-6,13-14,22-27H2,1-3H3