2-(2-methylpropyl)-N-(phenylmethyl)-3-(pyridin-3-ylmethyl)-4H-quinazoline-7-carboxamide

Systemtic Name: 2-(2-methylpropyl)-N-(phenylmethyl)-3-(pyridin-3-ylmethyl)-4H-quinazoline-7-carboxamide Openeye Name: N-benzyl-2-isobutyl-3-(3-pyridylmethyl)-4H-quinazoline-7-carboxamide CAS Name: 2-(2-methylpropyl)-N-(phenylmethyl)-3-(3-pyridinylmethyl)-4H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-2-(2-methylpropyl)-3-(pyridin-3-ylmethyl)-4H-quinazoline-7-carboxamide Traditional Name: N-benzyl-2-isobutyl-3-(3-pyridylmethyl)-4H-quinazoline-7-carboxamide Formula: C26H28N4O MolecularWeight: 412.52672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(CN1CC3=CN=CC=C3)C=CC(=C2)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NC2=C(CN1CC3=CN=CC=C3)C=CC(=C2)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O/c1-19(2)13-25-29-24-14-22(26(31)28-16-20-7-4-3-5-8-20)10-11-23(24)18-30(25)17-21-9-6-12-27-15-21/h3-12,14-15,19H,13,16-18H2,1-2H3,(H,28,31)