2-[[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]-8-propan-2-yl-1H-quinazolin-7-one

Systemtic Name: 2-[[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]-8-propan-2-yl-1H-quinazolin-7-one Openeye Name: 8-isopropyl-2-[4-[4-(3-piperazin-1-ylpropyl)-1-piperidyl]anilino]-1H-quinazolin-7-one CAS Name: 2-[4-[4-[3-(1-piperazinyl)propyl]-1-piperidinyl]anilino]-8-propan-2-yl-1H-quinazolin-7-one IUPAC Name: 2-[4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]anilino]-8-propan-2-yl-1H-quinazolin-7-one Traditional Name: 8-isopropyl-2-[4-[4-(3-piperazinopropyl)piperidino]anilino]-1H-quinazolin-7-one Formula: C29H40N6O MolecularWeight: 488.6675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CN=C(N2)NC3=CC=C(C=C3)N4CCC(CC4)CCCN5CCNCC5)C=CC1=O

Isomeric SMILES

CC(C)C1=C2C(=CN=C(N2)NC3=CC=C(C=C3)N4CCC(CC4)CCCN5CCNCC5)C=CC1=O

InChI

InChI=1S/C29H40N6O/c1-21(2)27-26(36)10-5-23-20-31-29(33-28(23)27)32-24-6-8-25(9-7-24)35-16-11-22(12-17-35)4-3-15-34-18-13-30-14-19-34/h5-10,20-22,30H,3-4,11-19H2,1-2H3,(H2,31,32,33)