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

Systemtic Name: phenethyl 2-[2-azanyl-6-[4-[cycloheptyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: phenethyl 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cycloheptyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid phenethyl ester Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OCCC4=CC=CC=C4)N

Isomeric SMILES

CN(C1CCCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)OCCC4=CC=CC=C4)N

InChI

InChI=1S/C30H40N4O4/c1-33(25-12-7-2-3-8-13-25)28(35)14-9-18-37-26-15-16-27-24(20-26)21-34(30(31)32-27)22-29(36)38-19-17-23-10-5-4-6-11-23/h4-6,10-11,15-16,20,25H,2-3,7-9,12-14,17-19,21-22H2,1H3,(H2,31,32)