7-butoxy-N6-(4-ethenylpiperidin-1-yl)-N4-(4-nitrophenyl)-5-pent-4-ynyl-N4-propyl-8-prop-2-ynyl-quinazoline-4,6-diamine

Systemtic Name: 7-butoxy-N6-(4-ethenylpiperidin-1-yl)-N4-(4-nitrophenyl)-5-pent-4-ynyl-N4-propyl-8-prop-2-ynyl-quinazoline-4,6-diamine Openeye Name: 7-butoxy-N4-(4-nitrophenyl)-5-pent-4-ynyl-N4-propyl-8-prop-2-ynyl-N6-(4-vinyl-1-piperidyl)quinazoline-4,6-diamine CAS Name: 7-butoxy-N6-(4-ethenyl-1-piperidinyl)-N4-(4-nitrophenyl)-5-pent-4-ynyl-N4-propyl-8-prop-2-ynylquinazoline-4,6-diamine IUPAC Name: 7-butoxy-6-N-(4-ethenylpiperidin-1-yl)-4-N-(4-nitrophenyl)-5-pent-4-ynyl-4-N-propyl-8-prop-2-ynylquinazoline-4,6-diamine Traditional Name: [7-butoxy-5-pent-4-ynyl-8-propargyl-6-[(4-vinylpiperidino)amino]quinazolin-4-yl]-(4-nitrophenyl)-propyl-amine Formula: C36H44N6O3 MolecularWeight: 608.77296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C2C(=C1CC#C)N=CN=C2N(CCC)C3=CC=C(C=C3)[N+](=O)[O-])CCCC#C)NN4CCC(CC4)C=C

Isomeric SMILES

CCCCOC1=C(C(=C2C(=C1CC#C)N=CN=C2N(CCC)C3=CC=C(C=C3)[N+](=O)[O-])CCCC#C)NN4CCC(CC4)C=C

InChI

InChI=1S/C36H44N6O3/c1-6-11-13-15-30-32-33(37-26-38-36(32)41(22-9-4)28-16-18-29(19-17-28)42(43)44)31(14-8-3)35(45-25-12-7-2)34(30)39-40-23-20-27(10-5)21-24-40/h1,3,10,16-19,26-27,39H,5,7,9,11-15,20-25H2,2,4H3