4-(azepan-1-yl)-N-(2-benzamidoethyl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-benzamidoethyl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-benzamidoethyl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(2-benzamidoethyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-benzamidoethyl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(2-benzamidoethyl)-3-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c27-21(17-8-4-3-5-9-17)23-12-13-24-22(28)18-10-11-19(20(16-18)26(29)30)25-14-6-1-2-7-15-25/h3-5,8-11,16H,1-2,6-7,12-15H2,(H,23,27)(H,24,28)