1-[(4-azanylquinazolin-7-yl)methyl]-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-3-propyl-piperazin-2-one

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-3-propyl-piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-3-propyl-piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(E)-3-(4-dimethylaminophenyl)-1-oxoprop-2-enyl]-3-propyl-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-3-propylpiperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(4-dimethylaminophenyl)acryloyl]-3-propyl-piperazin-2-one Formula: C27H32N6O2 MolecularWeight: 472.58198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(CCN1C(=O)C=CC2=CC=C(C=C2)N(C)C)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

CCCC1C(=O)N(CCN1C(=O)/C=C/C2=CC=C(C=C2)N(C)C)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C27H32N6O2/c1-4-5-24-27(35)32(17-20-8-12-22-23(16-20)29-18-30-26(22)28)14-15-33(24)25(34)13-9-19-6-10-21(11-7-19)31(2)3/h6-13,16,18,24H,4-5,14-15,17H2,1-3H3,(H2,28,29,30)/b13-9+