1-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]isoquinolin-1-yl]oxypropan-2-ol

Systemtic Name: 1-[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]isoquinolin-1-yl]oxypropan-2-ol Openeye Name: 1-[[3-(4-benzhydryl-1,4-diazepan-1-yl)-1-isoquinolyl]oxy]propan-2-ol CAS Name: 1-[[3-[4-(diphenylmethyl)-1,4-diazepan-1-yl]-1-isoquinolinyl]oxy]-2-propanol IUPAC Name: 1-[3-(4-benzhydryl-1,4-diazepan-1-yl)isoquinolin-1-yl]oxypropan-2-ol Traditional Name: 1-[[3-(4-benzhydryl-1,4-diazepan-1-yl)-1-isoquinolyl]oxy]propan-2-ol Formula: C30H33N3O2 MolecularWeight: 467.60192

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=NC(=CC2=CC=CC=C21)N3CCCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC(COC1=NC(=CC2=CC=CC=C21)N3CCCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C30H33N3O2/c1-23(34)22-35-30-27-16-9-8-15-26(27)21-28(31-30)32-17-10-18-33(20-19-32)29(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-9,11-16,21,23,29,34H,10,17-20,22H2,1H3