3-(1H-indol-3-yl)-N-[[4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]butanamide

Systemtic Name: 3-(1H-indol-3-yl)-N-[[4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]butanamide Openeye Name: N-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)butanamide CAS Name: 3-(1H-indol-3-yl)-N-[[4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]butanamide IUPAC Name: N-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)butanamide Traditional Name: N-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)butyramide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1CN(C2=CC=CC=C2O1)CC3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC(CC(=O)NCC1CN(C2=CC=CC=C2O1)CC3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O2/c1-20(24-17-29-25-12-6-5-11-23(24)25)15-28(32)30-16-22-19-31(18-21-9-3-2-4-10-21)26-13-7-8-14-27(26)33-22/h2-14,17,20,22,29H,15-16,18-19H2,1H3,(H,30,32)