N-[3-azanyl-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxidanylidene-propyl]-3,5-dimethyl-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[4-(1-piperidyl)-1-piperidyl]phenyl]-3-oxo-propyl]-3,5-dimethyl-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(1-piperidinyl)-1-piperidinyl]phenyl]-3-oxopropyl]-3,5-dimethylbenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]-3-oxopropyl]-3,5-dimethylbenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(4-piperidinopiperidino)phenyl]propyl]-3,5-dimethyl-benzamide Formula: C28H37N5O4 MolecularWeight: 507.62448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C28H37N5O4/c1-19-14-20(2)16-22(15-19)28(35)30-24(18-27(29)34)21-6-7-25(26(17-21)33(36)37)32-12-8-23(9-13-32)31-10-4-3-5-11-31/h6-7,14-17,23-24H,3-5,8-13,18H2,1-2H3,(H2,29,34)(H,30,35)