3-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]quinoline

Systemtic Name: 3-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]quinoline Openeye Name: 3-[(4-benzyloxy-3-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline IUPAC Name: 3-[1,4-diazepan-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline Traditional Name: 3-[(4-benzoxy-3-methoxy-phenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c1-33-28-19-24(12-13-27(28)34-21-22-8-3-2-4-9-22)29(32-16-7-14-30-15-17-32)25-18-23-10-5-6-11-26(23)31-20-25/h2-6,8-13,18-20,29-30H,7,14-17,21H2,1H3