4-(azepan-1-yl)-3-nitro-N-(1-propylpiperidin-4-yl)benzamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-(1-propylpiperidin-4-yl)benzamide Openeye Name: 4-(azepan-1-yl)-3-nitro-N-(1-propyl-4-piperidyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-(1-propyl-4-piperidinyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-(1-propylpiperidin-4-yl)benzamide Traditional Name: 4-(azepan-1-yl)-3-nitro-N-(1-propyl-4-piperidyl)benzamide Formula: C21H32N4O3 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O3/c1-2-11-23-14-9-18(10-15-23)22-21(26)17-7-8-19(20(16-17)25(27)28)24-12-5-3-4-6-13-24/h7-8,16,18H,2-6,9-15H2,1H3,(H,22,26)