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

Systemtic Name: 2-[[4-[4-[3-(3-azanylpyrrolidin-1-yl)propyl]piperidin-1-yl]phenyl]amino]-8-cyclopentyl-1H-quinazolin-7-one Openeye Name: 2-[4-[4-[3-(3-aminopyrrolidin-1-yl)propyl]-1-piperidyl]anilino]-8-cyclopentyl-1H-quinazolin-7-one CAS Name: 2-[4-[4-[3-(3-amino-1-pyrrolidinyl)propyl]-1-piperidinyl]anilino]-8-cyclopentyl-1H-quinazolin-7-one IUPAC Name: 2-[4-[4-[3-(3-aminopyrrolidin-1-yl)propyl]piperidin-1-yl]anilino]-8-cyclopentyl-1H-quinazolin-7-one Traditional Name: 2-[4-[4-[3-(3-aminopyrrolidino)propyl]piperidino]anilino]-8-cyclopentyl-1H-quinazolin-7-one Formula: C31H42N6O MolecularWeight: 514.70478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C3C(=CN=C(N3)NC4=CC=C(C=C4)N5CCC(CC5)CCCN6CCC(C6)N)C=CC2=O

Isomeric SMILES

C1CCC(C1)C2=C3C(=CN=C(N3)NC4=CC=C(C=C4)N5CCC(CC5)CCCN6CCC(C6)N)C=CC2=O

InChI

InChI=1S/C31H42N6O/c32-25-15-17-36(21-25)16-3-4-22-13-18-37(19-14-22)27-10-8-26(9-11-27)34-31-33-20-24-7-12-28(38)29(30(24)35-31)23-5-1-2-6-23/h7-12,20,22-23,25H,1-6,13-19,21,32H2,(H2,33,34,35)