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

Systemtic Name: 2-[[4-[4-[3-(3-azanylpyrrolidin-1-yl)propyl]piperidin-1-yl]phenyl]amino]-8-propan-2-yl-1H-quinazolin-7-one Openeye Name: 2-[4-[4-[3-(3-aminopyrrolidin-1-yl)propyl]-1-piperidyl]anilino]-8-isopropyl-1H-quinazolin-7-one CAS Name: 2-[4-[4-[3-(3-amino-1-pyrrolidinyl)propyl]-1-piperidinyl]anilino]-8-propan-2-yl-1H-quinazolin-7-one IUPAC Name: 2-[4-[4-[3-(3-aminopyrrolidin-1-yl)propyl]piperidin-1-yl]anilino]-8-propan-2-yl-1H-quinazolin-7-one Traditional Name: 2-[4-[4-[3-(3-aminopyrrolidino)propyl]piperidino]anilino]-8-isopropyl-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)CCCN5CCC(C5)N)C=CC1=O

Isomeric SMILES

CC(C)C1=C2C(=CN=C(N2)NC3=CC=C(C=C3)N4CCC(CC4)CCCN5CCC(C5)N)C=CC1=O

InChI

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