N-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]methyl]-4-phenyl-benzamide CAS Name: N-[[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]methyl]-4-phenyl-benzamide Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)CNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)N)OC

InChI

InChI=1S/C29H31N5O3/c1-36-25-16-23-24(17-26(25)37-2)32-29(33-27(23)30)34-14-12-19(13-15-34)18-31-28(35)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,31,35)(H2,30,32,33)