ethyl 1-[1,3-benzodioxol-5-ylmethyl-(6-chloranylquinazolin-4-yl)amino]pyrrolidine-2-carboxylate

Systemtic Name: ethyl 1-[1,3-benzodioxol-5-ylmethyl-(6-chloranylquinazolin-4-yl)amino]pyrrolidine-2-carboxylate Openeye Name: ethyl 1-[1,3-benzodioxol-5-ylmethyl-(6-chloroquinazolin-4-yl)amino]pyrrolidine-2-carboxylate CAS Name: 1-[1,3-benzodioxol-5-ylmethyl-(6-chloro-4-quinazolinyl)amino]-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1,3-benzodioxol-5-ylmethyl-(6-chloroquinazolin-4-yl)amino]pyrrolidine-2-carboxylate Traditional Name: 1-[(6-chloroquinazolin-4-yl)-piperonyl-amino]pyrrolidine-2-carboxylic acid ethyl ester Formula: C23H23ClN4O4 MolecularWeight: 454.90612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1N(CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1CCCN1N(CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C23H23ClN4O4/c1-2-30-23(29)19-4-3-9-27(19)28(12-15-5-8-20-21(10-15)32-14-31-20)22-17-11-16(24)6-7-18(17)25-13-26-22/h5-8,10-11,13,19H,2-4,9,12,14H2,1H3