[2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: (2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-(4-isopropyl-1,4-diazepan-1-yl)methanone CAS Name: [2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone IUPAC Name: (2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: (2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-(4-isopropyl-1,4-diazepan-1-yl)methanone Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCCN(CC1)C(=O)C2=CC3=C(CN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)N1CCCN(CC1)C(=O)C2=CC3=C(CN(CC3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C25H33N3O/c1-20(2)27-12-6-13-28(16-15-27)25(29)23-9-10-24-19-26(14-11-22(24)17-23)18-21-7-4-3-5-8-21/h3-5,7-10,17,20H,6,11-16,18-19H2,1-2H3