3-[(4-pyrrolidin-1-ylphenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(4-pyrrolidin-1-ylphenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-pyrrolidin-1-ylphenyl)methylamino]azepan-2-one CAS Name: 3-[[4-(1-pyrrolidinyl)phenyl]methylamino]-2-azepanone IUPAC Name: 3-[(4-pyrrolidin-1-ylphenyl)methylamino]azepan-2-one Traditional Name: 3-[(4-pyrrolidinobenzyl)amino]azepan-2-one Formula: C17H25N3O MolecularWeight: 287.3999

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C17H25N3O/c21-17-16(5-1-2-10-18-17)19-13-14-6-8-15(9-7-14)20-11-3-4-12-20/h6-9,16,19H,1-5,10-13H2,(H,18,21)