4,4-dimethyl-2-[(3-nitrophenyl)-piperidin-1-yl-methyl]naphthalen-1-one

Systemtic Name: 4,4-dimethyl-2-[(3-nitrophenyl)-piperidin-1-yl-methyl]naphthalen-1-one Openeye Name: 4,4-dimethyl-2-[(3-nitrophenyl)-(1-piperidyl)methyl]naphthalen-1-one CAS Name: 4,4-dimethyl-2-[(3-nitrophenyl)-(1-piperidinyl)methyl]-1-naphthalenone IUPAC Name: 4,4-dimethyl-2-[(3-nitrophenyl)-piperidin-1-ylmethyl]naphthalen-1-one Traditional Name: 4,4-dimethyl-2-[(3-nitrophenyl)-piperidino-methyl]naphthalen-1-one Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4)C

Isomeric SMILES

CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4)C

InChI

InChI=1S/C24H26N2O3/c1-24(2)16-20(23(27)19-11-4-5-12-21(19)24)22(25-13-6-3-7-14-25)17-9-8-10-18(15-17)26(28)29/h4-5,8-12,15-16,22H,3,6-7,13-14H2,1-2H3