(E)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-3-(3-methoxy-4-propoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N)OC

InChI

InChI=1S/C26H31N5O3/c1-3-16-34-22-10-8-19(17-23(22)33-2)9-11-25(32)31-14-12-30(13-15-31)18-24-28-21-7-5-4-6-20(21)26(27)29-24/h4-11,17H,3,12-16,18H2,1-2H3,(H2,27,28,29)/b11-9+