4-(4-prop-2-ynoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one

Systemtic Name: 4-(4-prop-2-ynoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one Openeye Name: 4-(4-prop-2-ynoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one CAS Name: 4-(4-prop-2-ynoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one IUPAC Name: 4-(4-prop-2-ynoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one Traditional Name: 4-(4-propargyloxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one Formula: C21H18N2O2 MolecularWeight: 330.37982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=O)N2

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4CC3)NC(=O)N2

InChI

InChI=1S/C21H18N2O2/c1-2-13-25-16-10-7-15(8-11-16)19-18-12-9-14-5-3-4-6-17(14)20(18)23-21(24)22-19/h1,3-8,10-11,19H,9,12-13H2,(H2,22,23,24)