3-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]quinoline

Systemtic Name: 3-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]quinoline Openeye Name: 3-[(2-benzyloxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 3-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]quinoline IUPAC Name: 3-[1,4-diazepan-1-yl-(2-phenylmethoxyphenyl)methyl]quinoline Traditional Name: 3-[(2-benzoxyphenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C28H29N3O MolecularWeight: 423.54936

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H29N3O/c1-2-9-22(10-3-1)21-32-27-14-7-5-12-25(27)28(31-17-8-15-29-16-18-31)24-19-23-11-4-6-13-26(23)30-20-24/h1-7,9-14,19-20,28-29H,8,15-18,21H2