azepan-1-yl-[3-nitro-4-[(phenylmethyl)amino]phenyl]methanone

Systemtic Name: azepan-1-yl-[3-nitro-4-[(phenylmethyl)amino]phenyl]methanone Openeye Name: azepan-1-yl-[4-(benzylamino)-3-nitro-phenyl]methanone CAS Name: 1-azepanyl-[3-nitro-4-[(phenylmethyl)amino]phenyl]methanone IUPAC Name: azepan-1-yl-[4-(benzylamino)-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-(benzylamino)-3-nitro-phenyl]methanone Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c24-20(22-12-6-1-2-7-13-22)17-10-11-18(19(14-17)23(25)26)21-15-16-8-4-3-5-9-16/h3-5,8-11,14,21H,1-2,6-7,12-13,15H2