N-[3-azanyl-1-[3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]phenyl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-[(1-benzyl-4-piperidyl)amino]-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]phenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-1-[4-[(1-benzyl-4-piperidyl)amino]-3-nitro-phenyl]-3-keto-propyl]benzamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C28H31N5O4/c29-27(34)18-25(31-28(35)21-9-5-2-6-10-21)22-11-12-24(26(17-22)33(36)37)30-23-13-15-32(16-14-23)19-20-7-3-1-4-8-20/h1-12,17,23,25,30H,13-16,18-19H2,(H2,29,34)(H,31,35)