N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1,3-dihydrobenzo[de]isoquinoline-2-carboxamide

Systemtic Name: N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1,3-dihydrobenzo[de]isoquinoline-2-carboxamide Openeye Name: N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1,3-dihydrobenzo[de]isoquinoline-2-carboxamide CAS Name: N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]-1,3-dihydrobenzo[de]isoquinoline-2-carboxamide IUPAC Name: N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1,3-dihydrobenzo[de]isoquinoline-2-carboxamide Traditional Name: N-[4-[(2-aminophenyl)carbamoyl]benzyl]-1,3-dihydrobenzo[de]isoquinoline-2-carboxamide Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC3=C2C(=CC=C3)CN1C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N

Isomeric SMILES

C1C2=CC=CC3=C2C(=CC=C3)CN1C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C27H24N4O2/c28-23-9-1-2-10-24(23)30-26(32)20-13-11-18(12-14-20)15-29-27(33)31-16-21-7-3-5-19-6-4-8-22(17-31)25(19)21/h1-14H,15-17,28H2,(H,29,33)(H,30,32)