(2-chloranyl-3,4-dimethoxy-phenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-chloranyl-3,4-dimethoxy-phenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-chloro-3,4-dimethoxy-phenyl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-chloro-3,4-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-chloro-3,4-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-chloro-3,4-dimethoxy-phenyl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=NC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=NC=C3)Cl)OC

InChI

InChI=1S/C20H24ClN3O3/c1-26-17-5-4-16(18(21)19(17)27-2)20(25)24-11-3-10-23(12-13-24)14-15-6-8-22-9-7-15/h4-9H,3,10-14H2,1-2H3