(4-chloranyl-1H-pyrrol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-chloranyl-1H-pyrrol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone CAS Name: (4-chloro-1H-pyrrol-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone Formula: C17H20ClN3O MolecularWeight: 317.8132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CN2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CN2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C17H20ClN3O/c18-15-11-16(19-12-15)17(22)21-8-4-7-20(9-10-21)13-14-5-2-1-3-6-14/h1-3,5-6,11-12,19H,4,7-10,13H2