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

Systemtic Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidine-1-carboxamide Openeye Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)-1-piperidyl]quinazolin-6-yl]pyrrolidine-1-carboxamide CAS Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl]-6-quinazolinyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[4-[(2,4-dichlorophenyl)methylamino]-2-[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]quinazolin-6-yl]pyrrolidine-1-carboxamide Traditional Name: N-[4-[(2,4-dichlorobenzyl)amino]-2-[4-(2-pyrrolidinoethyl)piperidino]quinazolin-6-yl]pyrrolidine-1-carboxamide Formula: C31H39Cl2N7O MolecularWeight: 596.59366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2CCN(CC2)C3=NC4=C(C=C(C=C4)NC(=O)N5CCCC5)C(=N3)NCC6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

C1CCN(C1)CCC2CCN(CC2)C3=NC4=C(C=C(C=C4)NC(=O)N5CCCC5)C(=N3)NCC6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C31H39Cl2N7O/c32-24-6-5-23(27(33)19-24)21-34-29-26-20-25(35-31(41)40-14-3-4-15-40)7-8-28(26)36-30(37-29)39-17-10-22(11-18-39)9-16-38-12-1-2-13-38/h5-8,19-20,22H,1-4,9-18,21H2,(H,35,41)(H,34,36,37)