N-[7-(3-morpholin-4-ylpropoxy)-4-[(2-phenyl-3H-benzimidazol-5-yl)amino]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[7-(3-morpholin-4-ylpropoxy)-4-[(2-phenyl-3H-benzimidazol-5-yl)amino]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[7-(3-morpholinopropoxy)-4-[(2-phenyl-3H-benzimidazol-5-yl)amino]quinazolin-6-yl]prop-2-enamide CAS Name: N-[7-[3-(4-morpholinyl)propoxy]-4-[(2-phenyl-3H-benzimidazol-5-yl)amino]-6-quinazolinyl]-2-propenamide IUPAC Name: N-[7-(3-morpholin-4-ylpropoxy)-4-[(2-phenyl-3H-benzimidazol-5-yl)amino]quinazolin-6-yl]prop-2-enamide Traditional Name: N-[7-(3-morpholinopropoxy)-4-[(2-phenyl-3H-benzimidazol-5-yl)amino]quinazolin-6-yl]acrylamide Formula: C31H31N7O3 MolecularWeight: 549.62294

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5)OCCCN6CCOCC6

Isomeric SMILES

C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=C(N4)C5=CC=CC=C5)OCCCN6CCOCC6

InChI

InChI=1S/C31H31N7O3/c1-2-29(39)35-27-18-23-25(19-28(27)41-14-6-11-38-12-15-40-16-13-38)32-20-33-31(23)34-22-9-10-24-26(17-22)37-30(36-24)21-7-4-3-5-8-21/h2-5,7-10,17-20H,1,6,11-16H2,(H,35,39)(H,36,37)(H,32,33,34)