2-[[4-[4-(2-azanylethanoyl)piperazin-1-yl]phenyl]amino]-8-cyclopentyl-1H-quinazolin-7-one

Systemtic Name: 2-[[4-[4-(2-azanylethanoyl)piperazin-1-yl]phenyl]amino]-8-cyclopentyl-1H-quinazolin-7-one Openeye Name: 2-[4-[4-(2-aminoacetyl)piperazin-1-yl]anilino]-8-cyclopentyl-1H-quinazolin-7-one CAS Name: 2-[4-[4-(2-amino-1-oxoethyl)-1-piperazinyl]anilino]-8-cyclopentyl-1H-quinazolin-7-one IUPAC Name: 2-[4-[4-(2-aminoacetyl)piperazin-1-yl]anilino]-8-cyclopentyl-1H-quinazolin-7-one Traditional Name: 8-cyclopentyl-2-[4-(4-glycylpiperazino)anilino]-1H-quinazolin-7-one Formula: C25H30N6O2 MolecularWeight: 446.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3C(=CN=C(N3)NC4=CC=C(C=C4)N5CCN(CC5)C(=O)CN)C=CC2=O

Isomeric SMILES

C1CCC(C1)C2=C3C(=CN=C(N3)NC4=CC=C(C=C4)N5CCN(CC5)C(=O)CN)C=CC2=O

InChI

InChI=1S/C25H30N6O2/c26-15-22(33)31-13-11-30(12-14-31)20-8-6-19(7-9-20)28-25-27-16-18-5-10-21(32)23(24(18)29-25)17-3-1-2-4-17/h5-10,16-17H,1-4,11-15,26H2,(H2,27,28,29)