N-[4-[(2S)-butan-2-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-[(2S)-butan-2-yl]phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-[(1S)-1-methylpropyl]phenyl]-3-nitro-4-piperidino-benzamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c1-3-16(2)17-7-10-19(11-8-17)23-22(26)18-9-12-20(21(15-18)25(27)28)24-13-5-4-6-14-24/h7-12,15-16H,3-6,13-14H2,1-2H3,(H,23,26)/t16-/m0/s1