methyl 2-[3-(5-azanylpentyl)-2-[(4-phenylphenyl)amino]-4H-quinazolin-4-yl]ethanoate

Systemtic Name: methyl 2-[3-(5-azanylpentyl)-2-[(4-phenylphenyl)amino]-4H-quinazolin-4-yl]ethanoate Openeye Name: methyl 2-[3-(5-aminopentyl)-2-(4-phenylanilino)-4H-quinazolin-4-yl]acetate CAS Name: 2-[3-(5-aminopentyl)-2-(4-phenylanilino)-4H-quinazolin-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(5-aminopentyl)-2-(4-phenylanilino)-4H-quinazolin-4-yl]acetate Traditional Name: 2-[3-(5-aminopentyl)-2-(4-phenylanilino)-4H-quinazolin-4-yl]acetic acid methyl ester Formula: C28H32N4O2 MolecularWeight: 456.57928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C2=CC=CC=C2N=C(N1CCCCCN)NC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1C2=CC=CC=C2N=C(N1CCCCCN)NC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2/c1-34-27(33)20-26-24-12-6-7-13-25(24)31-28(32(26)19-9-3-8-18-29)30-23-16-14-22(15-17-23)21-10-4-2-5-11-21/h2,4-7,10-17,26H,3,8-9,18-20,29H2,1H3,(H,30,31)