4-[(2-nitrophenyl)amino]-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one

Systemtic Name: 4-[(2-nitrophenyl)amino]-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-4-(2-nitroanilino)butan-1-one CAS Name: 4-(2-nitroanilino)-1-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-(2-nitroanilino)butan-1-one Traditional Name: 1-(4-benzylpiperidino)-4-(2-nitroanilino)butan-1-one Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c26-22(11-6-14-23-20-9-4-5-10-21(20)25(27)28)24-15-12-19(13-16-24)17-18-7-2-1-3-8-18/h1-5,7-10,19,23H,6,11-17H2