4-(azepan-1-ylmethyl)-N-[5-chloranyl-2-(2-methoxyphenoxy)phenyl]benzamide

Systemtic Name: 4-(azepan-1-ylmethyl)-N-[5-chloranyl-2-(2-methoxyphenoxy)phenyl]benzamide Openeye Name: 4-(azepan-1-ylmethyl)-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]benzamide CAS Name: 4-(1-azepanylmethyl)-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]benzamide IUPAC Name: 4-(azepan-1-ylmethyl)-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]benzamide Traditional Name: 4-(azepan-1-ylmethyl)-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]benzamide Formula: C27H29ClN2O3 MolecularWeight: 464.98376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CN4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1OC2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CN4CCCCCC4

InChI

InChI=1S/C27H29ClN2O3/c1-32-25-8-4-5-9-26(25)33-24-15-14-22(28)18-23(24)29-27(31)21-12-10-20(11-13-21)19-30-16-6-2-3-7-17-30/h4-5,8-15,18H,2-3,6-7,16-17,19H2,1H3,(H,29,31)