1-[(4-azanylquinazolin-7-yl)methyl]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-methyl-3-propyl-piperazin-2-one

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-methyl-3-propyl-piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-methyl-3-propyl-piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]-6-methyl-3-propyl-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-methyl-3-propylpiperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(E)-3-(4-hydroxyphenyl)acryloyl]-6-methyl-3-propyl-piperazin-2-one Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(CN1C(=O)C=CC2=CC=C(C=C2)O)C)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

CCCC1C(=O)N(C(CN1C(=O)/C=C/C2=CC=C(C=C2)O)C)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C26H29N5O3/c1-3-4-23-26(34)30(15-19-7-11-21-22(13-19)28-16-29-25(21)27)17(2)14-31(23)24(33)12-8-18-5-9-20(32)10-6-18/h5-13,16-17,23,32H,3-4,14-15H2,1-2H3,(H2,27,28,29)/b12-8+