1-[(5-chloranyl-2-methoxy-phenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(3,4-diethoxyphenyl)methyl]-1,4-diazepane Formula: C23H31ClN2O3 MolecularWeight: 418.95684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCNCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCNCC3)OCC

InChI

InChI=1S/C23H31ClN2O3/c1-4-28-21-9-7-17(15-22(21)29-5-2)23(26-13-6-11-25-12-14-26)19-16-18(24)8-10-20(19)27-3/h7-10,15-16,23,25H,4-6,11-14H2,1-3H3