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

Systemtic Name: 2-[[3-chloranyl-4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]phenyl]amino]-8-cyclopentyl-1H-quinazolin-7-one Openeye Name: 2-[3-chloro-4-[4-(3-piperazin-1-ylpropyl)-1-piperidyl]anilino]-8-cyclopentyl-1H-quinazolin-7-one CAS Name: 2-[3-chloro-4-[4-[3-(1-piperazinyl)propyl]-1-piperidinyl]anilino]-8-cyclopentyl-1H-quinazolin-7-one IUPAC Name: 2-[3-chloro-4-[4-(3-piperazin-1-ylpropyl)piperidin-1-yl]anilino]-8-cyclopentyl-1H-quinazolin-7-one Traditional Name: 2-[3-chloro-4-[4-(3-piperazinopropyl)piperidino]anilino]-8-cyclopentyl-1H-quinazolin-7-one Formula: C31H41ClN6O MolecularWeight: 549.14984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3C(=CN=C(N3)NC4=CC(=C(C=C4)N5CCC(CC5)CCCN6CCNCC6)Cl)C=CC2=O

Isomeric SMILES

C1CCC(C1)C2=C3C(=CN=C(N3)NC4=CC(=C(C=C4)N5CCC(CC5)CCCN6CCNCC6)Cl)C=CC2=O

InChI

InChI=1S/C31H41ClN6O/c32-26-20-25(35-31-34-21-24-7-10-28(39)29(30(24)36-31)23-5-1-2-6-23)8-9-27(26)38-16-11-22(12-17-38)4-3-15-37-18-13-33-14-19-37/h7-10,20-23,33H,1-6,11-19H2,(H2,34,35,36)