(3-chloranyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chlorobenzothiophen-2-yl)methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chloro-1-benzothiophen-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(3-chlorobenzothiophen-2-yl)methanone Formula: C21H21ClN2OS MolecularWeight: 384.92224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2OS/c22-19-17-9-4-5-10-18(17)26-20(19)21(25)24-12-6-11-23(13-14-24)15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2