2-[(4-piperazin-1-ylphenyl)amino]-8-propan-2-yl-1H-quinazolin-7-one

Systemtic Name: 2-[(4-piperazin-1-ylphenyl)amino]-8-propan-2-yl-1H-quinazolin-7-one Openeye Name: 8-isopropyl-2-(4-piperazin-1-ylanilino)-1H-quinazolin-7-one CAS Name: 2-[4-(1-piperazinyl)anilino]-8-propan-2-yl-1H-quinazolin-7-one IUPAC Name: 2-(4-piperazin-1-ylanilino)-8-propan-2-yl-1H-quinazolin-7-one Traditional Name: 8-isopropyl-2-(4-piperazinoanilino)-1H-quinazolin-7-one Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CN=C(N2)NC3=CC=C(C=C3)N4CCNCC4)C=CC1=O

Isomeric SMILES

CC(C)C1=C2C(=CN=C(N2)NC3=CC=C(C=C3)N4CCNCC4)C=CC1=O

InChI

InChI=1S/C21H25N5O/c1-14(2)19-18(27)8-3-15-13-23-21(25-20(15)19)24-16-4-6-17(7-5-16)26-11-9-22-10-12-26/h3-8,13-14,22H,9-12H2,1-2H3,(H2,23,24,25)