4-[(2-methylpropan-2-yl)oxy]-2-[2-(phenoxymethylamino)phenyl]-6-phenylazanyl-benzo[e]perimidin-7-one

Systemtic Name: 4-[(2-methylpropan-2-yl)oxy]-2-[2-(phenoxymethylamino)phenyl]-6-phenylazanyl-benzo[e]perimidin-7-one Openeye Name: 6-anilino-4-tert-butoxy-2-[2-(phenoxymethylamino)phenyl]benzo[e]perimidin-7-one CAS Name: 6-anilino-4-[(2-methylpropan-2-yl)oxy]-2-[2-(phenoxymethylamino)phenyl]-7-benzo[e]perimidinone IUPAC Name: 6-anilino-4-[(2-methylpropan-2-yl)oxy]-2-[2-(phenoxymethylamino)phenyl]benzo[e]perimidin-7-one Traditional Name: 6-anilino-4-tert-butoxy-2-[2-(phenoxymethylamino)phenyl]benzo[e]perimidin-7-one Formula: C38H32N4O3 MolecularWeight: 592.68568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C2C3=C(C(=C1)NC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=NC(=N2)C6=CC=CC=C6NCOC7=CC=CC=C7

Isomeric SMILES

CC(C)(C)OC1=C2C3=C(C(=C1)NC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=NC(=N2)C6=CC=CC=C6NCOC7=CC=CC=C7

InChI

InChI=1S/C38H32N4O3/c1-38(2,3)45-31-22-30(40-24-14-6-4-7-15-24)32-33-34(26-18-10-11-19-27(26)36(32)43)41-37(42-35(31)33)28-20-12-13-21-29(28)39-23-44-25-16-8-5-9-17-25/h4-22,39-40H,23H2,1-3H3