1-(3-methoxyphenyl)-3-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)urea

Systemtic Name: 1-(3-methoxyphenyl)-3-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)urea Openeye Name: 1-(3-methoxyphenyl)-3-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)urea CAS Name: 1-(3-methoxyphenyl)-3-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)urea IUPAC Name: 1-(3-methoxyphenyl)-3-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)urea Traditional Name: 1-(3-methoxyphenyl)-3-(6-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)urea Formula: C26H22N4O2 MolecularWeight: 422.47848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NC2C3=CC=CN3C4=CC=CC=C4C(=N2)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NC2C3=CC=CN3C4=CC=CC=C4C(=N2)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2/c1-32-20-12-7-11-19(17-20)27-26(31)29-25-23-15-8-16-30(23)22-14-6-5-13-21(22)24(28-25)18-9-3-2-4-10-18/h2-17,25H,1H3,(H2,27,29,31)