[7-bromanyl-1-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone

Systemtic Name: [7-bromanyl-1-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-yl-methanone Openeye Name: [7-bromo-1-(2-thienylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone CAS Name: [7-bromo-1-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthalenyl)methanone IUPAC Name: [7-bromo-1-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-naphthalen-1-ylmethanone Traditional Name: [7-bromo-1-(2-thenyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(1-naphthyl)methanone Formula: C25H21BrN2OS MolecularWeight: 477.41604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)Br)CC5=CC=CS5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC4=CC=CC=C43)C=C(C=C2)Br)CC5=CC=CS5

InChI

InChI=1S/C25H21BrN2OS/c26-20-10-11-24-19(15-20)16-28(13-12-27(24)17-21-7-4-14-30-21)25(29)23-9-3-6-18-5-1-2-8-22(18)23/h1-11,14-15H,12-13,16-17H2