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

Systemtic Name: 2-[[3-chloranyl-4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]-8-propan-2-yl-1H-quinazolin-7-one Openeye Name: 2-[3-chloro-4-[4-(3-piperazin-1-ylpropyl)-1-piperidyl]anilino]-8-isopropyl-1H-quinazolin-7-one CAS Name: 2-[3-chloro-4-[4-[3-(1-piperazinyl)propyl]-1-piperidinyl]anilino]-8-propan-2-yl-1H-quinazolin-7-one IUPAC Name: 2-[3-chloro-4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]anilino]-8-propan-2-yl-1H-quinazolin-7-one Traditional Name: 2-[3-chloro-4-[4-(3-piperazinopropyl)piperidino]anilino]-8-isopropyl-1H-quinazolin-7-one Formula: C29H39ClN6O MolecularWeight: 523.11256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39ClN6O/c1-20(2)27-26(37)8-5-22-19-32-29(34-28(22)27)33-23-6-7-25(24(30)18-23)36-14-9-21(10-15-36)4-3-13-35-16-11-31-12-17-35/h5-8,18-21,31H,3-4,9-17H2,1-2H3,(H2,32,33,34)