(5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C)[N+](=O)[O-])OC

InChI

InChI=1S/C23H29N3O5/c1-4-31-22-14-19(20(26(28)29)15-21(22)30-3)23(27)25-11-5-10-24(12-13-25)16-18-8-6-17(2)7-9-18/h6-9,14-15H,4-5,10-13,16H2,1-3H3