6-[bis(phenylmethyl)amino]-3-[4-(diethylamino)-2-propoxy-phenyl]-3-pyridin-4-yl-2-benzofuran-1-one

Systemtic Name: 6-[bis(phenylmethyl)amino]-3-[4-(diethylamino)-2-propoxy-phenyl]-3-pyridin-4-yl-2-benzofuran-1-one Openeye Name: 6-(dibenzylamino)-3-[4-(diethylamino)-2-propoxy-phenyl]-3-(4-pyridyl)isobenzofuran-1-one CAS Name: 6-[bis(phenylmethyl)amino]-3-[4-(diethylamino)-2-propoxyphenyl]-3-pyridin-4-yl-1-isobenzofuranone IUPAC Name: 6-(dibenzylamino)-3-[4-(diethylamino)-2-propoxyphenyl]-3-pyridin-4-yl-2-benzofuran-1-one Traditional Name: 6-(dibenzylamino)-3-[4-(diethylamino)-2-propoxy-phenyl]-3-(4-pyridyl)phthalide Formula: C40H41N3O3 MolecularWeight: 611.77184

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)N(CC)CC)C2(C3=C(C=C(C=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O2)C6=CC=NC=C6

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N(CC)CC)C2(C3=C(C=C(C=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O2)C6=CC=NC=C6

InChI

InChI=1S/C40H41N3O3/c1-4-25-45-38-27-34(42(5-2)6-3)18-20-37(38)40(32-21-23-41-24-22-32)36-19-17-33(26-35(36)39(44)46-40)43(28-30-13-9-7-10-14-30)29-31-15-11-8-12-16-31/h7-24,26-27H,4-6,25,28-29H2,1-3H3