N-[3-[[4-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[4-(azepan-1-yl)phenyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-(azepan-1-yl)anilino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[4-(1-azepanyl)anilino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(azepan-1-yl)anilino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[4-(azepan-1-yl)anilino]-3-keto-propyl]-4-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c27-21(13-14-23-22(28)17-5-9-20(10-6-17)26(29)30)24-18-7-11-19(12-8-18)25-15-3-1-2-4-16-25/h5-12H,1-4,13-16H2,(H,23,28)(H,24,27)