N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[4-(1-azepanyl)phenyl]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-nitro-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)CCNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O3/c25-21(18-6-5-7-20(16-18)24(26)27)22-13-12-17-8-10-19(11-9-17)23-14-3-1-2-4-15-23/h5-11,16H,1-4,12-15H2,(H,22,25)