3,5-bis(chloranyl)-N-[3-[4-[(4-nitrophenyl)-(phenylmethyl)amino]piperidin-1-yl]butyl]pyridine-4-carboxamide

Systemtic Name: 3,5-bis(chloranyl)-N-[3-[4-[(4-nitrophenyl)-(phenylmethyl)amino]piperidin-1-yl]butyl]pyridine-4-carboxamide Openeye Name: N-[3-[4-(N-benzyl-4-nitro-anilino)-1-piperidyl]butyl]-3,5-dichloro-pyridine-4-carboxamide CAS Name: 3,5-dichloro-N-[3-[4-(4-nitro-N-(phenylmethyl)anilino)-1-piperidinyl]butyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[4-(N-benzyl-4-nitroanilino)piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide Traditional Name: N-[3-[4-(N-benzyl-4-nitro-anilino)piperidino]butyl]-3,5-dichloro-isonicotinamide Formula: C28H31Cl2N5O3 MolecularWeight: 556.48344

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C1=C(C=NC=C1Cl)Cl)N2CCC(CC2)N(CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(CCNC(=O)C1=C(C=NC=C1Cl)Cl)N2CCC(CC2)N(CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H31Cl2N5O3/c1-20(11-14-32-28(36)27-25(29)17-31-18-26(27)30)33-15-12-23(13-16-33)34(19-21-5-3-2-4-6-21)22-7-9-24(10-8-22)35(37)38/h2-10,17-18,20,23H,11-16,19H2,1H3,(H,32,36)