1-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-3-phenyl-urea

Systemtic Name: 1-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-3-phenyl-urea Openeye Name: 1-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-3-phenyl-urea CAS Name: 1-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]-3-phenylurea IUPAC Name: 1-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]-3-phenylurea Traditional Name: 1-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-3-phenyl-urea Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NNC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C22H17N5O3/c28-20-17-11-5-4-10-16(17)18(21(29)27(20)19-12-6-7-13-23-19)14-24-26-22(30)25-15-8-2-1-3-9-15/h1-14,24H,(H2,25,26,30)