N-[2-[3-(aminomethyl)phenoxy]-4-chloranyl-phenyl]-N-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-phenyl-benzamide hydrochloride

Systemtic Name: N-[2-[3-(aminomethyl)phenoxy]-4-chloranyl-phenyl]-N-[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-4-phenyl-benzamide hydrochloride Openeye Name: N-[2-[3-(aminomethyl)phenoxy]-4-chloro-phenyl]-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl]-4-phenyl-benzamide hydrochloride CAS Name: N-[2-[3-(aminomethyl)phenoxy]-4-chlorophenyl]-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-phenylbenzamide hydrochloride IUPAC Name: N-[2-[3-(aminomethyl)phenoxy]-4-chlorophenyl]-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-phenylbenzamide hydrochloride Traditional Name: N-[2-[3-(aminomethyl)phenoxy]-4-chloro-phenyl]-N-[2-[(2-fluorobenzyl)amino]-2-keto-ethyl]-4-phenyl-benzamide hydrochloride Formula: C35H30Cl2FN3O3 MolecularWeight: 630.535403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CC(=O)NCC3=CC=CC=C3F)C4=C(C=C(C=C4)Cl)OC5=CC=CC(=C5)CN.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CC(=O)NCC3=CC=CC=C3F)C4=C(C=C(C=C4)Cl)OC5=CC=CC(=C5)CN.Cl

InChI

InChI=1S/C35H29ClFN3O3.ClH/c36-29-17-18-32(33(20-29)43-30-11-6-7-24(19-30)21-38)40(23-34(41)39-22-28-10-4-5-12-31(28)37)35(42)27-15-13-26(14-16-27)25-8-2-1-3-9-25;/h1-20H,21-23,38H2,(H,39,41);1H