N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinazolin-6-yl]ethanamide

Systemtic Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinazolin-6-yl]ethanamide Openeye Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)-1-piperidyl]quinazolin-6-yl]acetamide CAS Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl]-6-quinazolinyl]acetamide IUPAC Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinazolin-6-yl]acetamide Traditional Name: N-[4-[(2,4-dichlorobenzyl)amino]-2-[4-(2-pyrrolidinoethyl)piperidino]quinazolin-6-yl]acetamide Formula: C28H34Cl2N6O MolecularWeight: 541.51516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(N=C2NCC3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)CCN5CCCC5

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(N=C2NCC3=C(C=C(C=C3)Cl)Cl)N4CCC(CC4)CCN5CCCC5

InChI

InChI=1S/C28H34Cl2N6O/c1-19(37)32-23-6-7-26-24(17-23)27(31-18-21-4-5-22(29)16-25(21)30)34-28(33-26)36-14-9-20(10-15-36)8-13-35-11-2-3-12-35/h4-7,16-17,20H,2-3,8-15,18H2,1H3,(H,32,37)(H,31,33,34)