3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]azepan-2-one Openeye Name: 3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]azepan-2-one CAS Name: 3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]-2-azepanone IUPAC Name: 3-[[4-[(2-chlorophenyl)methylamino]phenyl]methylamino]azepan-2-one Traditional Name: 3-[[4-[(2-chlorobenzyl)amino]benzyl]amino]azepan-2-one Formula: C20H24ClN3O MolecularWeight: 357.87706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O/c21-18-6-2-1-5-16(18)14-23-17-10-8-15(9-11-17)13-24-19-7-3-4-12-22-20(19)25/h1-2,5-6,8-11,19,23-24H,3-4,7,12-14H2,(H,22,25)