3-[[2-(4-methoxyphenyl)quinazolin-4-yl]-(phenylmethyl)amino]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[[2-(4-methoxyphenyl)quinazolin-4-yl]-(phenylmethyl)amino]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[[2-(4-methoxyphenyl)-4-quinazolinyl]-(phenylmethyl)amino]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[benzyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-pyrrolidino-propan-1-one Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCC(=O)N4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N(CCC(=O)N4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c1-35-24-15-13-23(14-16-24)28-30-26-12-6-5-11-25(26)29(31-28)33(21-22-9-3-2-4-10-22)20-17-27(34)32-18-7-8-19-32/h2-6,9-16H,7-8,17-21H2,1H3