4-(azepan-1-yl)-N-[3-(cyclohexylamino)propyl]-3-nitro-benzamide hydrochloride

Systemtic Name: 4-(azepan-1-yl)-N-[3-(cyclohexylamino)propyl]-3-nitro-benzamide hydrochloride Openeye Name: 4-(azepan-1-yl)-N-[3-(cyclohexylamino)propyl]-3-nitro-benzamide hydrochloride CAS Name: 4-(1-azepanyl)-N-[3-(cyclohexylamino)propyl]-3-nitrobenzamide hydrochloride IUPAC Name: 4-(azepan-1-yl)-N-[3-(cyclohexylamino)propyl]-3-nitrobenzamide hydrochloride Traditional Name: 4-(azepan-1-yl)-N-[3-(cyclohexylamino)propyl]-3-nitro-benzamide hydrochloride Formula: C22H35ClN4O3 MolecularWeight: 438.9913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCNC3CCCCC3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCCNC3CCCCC3)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H34N4O3.ClH/c27-22(24-14-8-13-23-19-9-4-3-5-10-19)18-11-12-20(21(17-18)26(28)29)25-15-6-1-2-7-16-25;/h11-12,17,19,23H,1-10,13-16H2,(H,24,27);1H