6-azanyl-4-[[4-(oxan-2-yloxymethyl)phenyl]amino]benzo[e]perimidin-7-one

Systemtic Name: 6-azanyl-4-[[4-(oxan-2-yloxymethyl)phenyl]amino]benzo[e]perimidin-7-one Openeye Name: 6-amino-4-[4-(tetrahydropyran-2-yloxymethyl)anilino]benzo[e]perimidin-7-one CAS Name: 6-amino-4-[4-(2-oxanyloxymethyl)anilino]-7-benzo[e]perimidinone IUPAC Name: 6-amino-4-[4-(oxan-2-yloxymethyl)anilino]benzo[e]perimidin-7-one Traditional Name: 6-amino-4-[4-(tetrahydropyran-2-yloxymethyl)anilino]benzo[e]perimidin-7-one Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC=C(C=C2)NC3=C4C5=C(C(=C3)N)C(=O)C6=CC=CC=C6C5=NC=N4

Isomeric SMILES

C1CCOC(C1)OCC2=CC=C(C=C2)NC3=C4C5=C(C(=C3)N)C(=O)C6=CC=CC=C6C5=NC=N4

InChI

InChI=1S/C27H24N4O3/c28-20-13-21(31-17-10-8-16(9-11-17)14-34-22-7-3-4-12-33-22)26-24-23(20)27(32)19-6-2-1-5-18(19)25(24)29-15-30-26/h1-2,5-6,8-11,13,15,22,31H,3-4,7,12,14,28H2