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

Systemtic Name: (3-chloranyl-4-ethoxy-5-methoxy-phenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-chloro-4-ethoxy-5-methoxyphenyl)-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-chloro-4-ethoxy-5-methoxy-phenyl)-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C23H29ClN2O3 MolecularWeight: 416.94096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C23H29ClN2O3/c1-4-29-22-20(24)14-19(15-21(22)28-3)23(27)26-11-5-10-25(12-13-26)16-18-8-6-17(2)7-9-18/h6-9,14-15H,4-5,10-13,16H2,1-3H3