6,7-dimethoxy-5-phenyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]quinolin-4-amine

Systemtic Name: 6,7-dimethoxy-5-phenyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]quinolin-4-amine Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-6,7-dimethoxy-5-phenyl-quinolin-4-amine CAS Name: 6,7-dimethoxy-5-phenyl-2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-4-quinolinamine IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-6,7-dimethoxy-5-phenylquinolin-4-amine Traditional Name: [2-(4-benzyl-1,4-diazepan-1-yl)-6,7-dimethoxy-5-phenyl-4-quinolyl]amine Formula: C29H32N4O2 MolecularWeight: 468.58998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)CC4=CC=CC=C4)N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)CC4=CC=CC=C4)N)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H32N4O2/c1-34-25-19-24-28(27(29(25)35-2)22-12-7-4-8-13-22)23(30)18-26(31-24)33-15-9-14-32(16-17-33)20-21-10-5-3-6-11-21/h3-8,10-13,18-19H,9,14-17,20H2,1-2H3,(H2,30,31)