(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(5-chloro-2,3-dihydrobenzofuran-2-yl)methanone CAS Name: (5-chloro-2,3-dihydrobenzofuran-2-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(5-chlorocoumaran-2-yl)methanone Formula: C21H23ClN2O2 MolecularWeight: 370.87252

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H23ClN2O2/c22-18-7-8-19-17(13-18)14-20(26-19)21(25)24-10-4-9-23(11-12-24)15-16-5-2-1-3-6-16/h1-3,5-8,13,20H,4,9-12,14-15H2