1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-(3,4-dimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-(3,4-dimethoxyphenyl)propan-1-one Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)OC

InChI

InChI=1S/C24H29N5O3/c1-31-20-9-7-17(15-21(20)32-2)8-10-23(30)29-13-11-28(12-14-29)16-22-26-19-6-4-3-5-18(19)24(25)27-22/h3-7,9,15H,8,10-14,16H2,1-2H3,(H2,25,26,27)