N-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide

Systemtic Name: N-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Openeye Name: N-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide CAS Name: N-[2-methyl-5-(1-pyrrolidinylmethyl)phenyl]-4-[(4-phenyl-2-quinazolinyl)amino]benzamide IUPAC Name: N-[2-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Traditional Name: N-[2-methyl-5-(pyrrolidinomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide Formula: C33H31N5O MolecularWeight: 513.63214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCC2)NC(=O)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5C(=N4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCC2)NC(=O)C3=CC=C(C=C3)NC4=NC5=CC=CC=C5C(=N4)C6=CC=CC=C6

InChI

InChI=1S/C33H31N5O/c1-23-13-14-24(22-38-19-7-8-20-38)21-30(23)35-32(39)26-15-17-27(18-16-26)34-33-36-29-12-6-5-11-28(29)31(37-33)25-9-3-2-4-10-25/h2-6,9-18,21H,7-8,19-20,22H2,1H3,(H,35,39)(H,34,36,37)