(4-ethoxy-3-methoxy-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-ethoxy-3-methoxy-phenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (4-ethoxy-3-methoxyphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-ethoxy-3-methoxyphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C23H30N2O3 MolecularWeight: 382.4959

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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)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H30N2O3/c1-4-28-21-11-10-20(16-22(21)27-3)23(26)25-13-5-12-24(14-15-25)17-19-8-6-18(2)7-9-19/h6-11,16H,4-5,12-15,17H2,1-3H3