phenyl 2-[2-azanyl-6-[4-[cycloheptyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: phenyl 2-[2-azanyl-6-[4-[cycloheptyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: phenyl 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid phenyl ester IUPAC Name: phenyl 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid phenyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCCC1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4=CC=CC=C4)N

Isomeric SMILES

CN(C1CCCCCC1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)OC4=CC=CC=C4)N

InChI

InChI=1S/C28H34N4O4/c1-31(22-9-5-2-3-6-10-22)26(34)16-15-25(33)20-13-14-24-21(17-20)18-32(28(29)30-24)19-27(35)36-23-11-7-4-8-12-23/h4,7-8,11-14,17,22H,2-3,5-6,9-10,15-16,18-19H2,1H3,(H2,29,30)