(4S)-4-methyl-5-[2-(4-naphthalen-1-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: (4S)-4-methyl-5-[2-(4-naphthalen-1-ylcarbonylpiperazin-1-ium-1-yl)ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: (4S)-4-methyl-5-[2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: (4S)-4-methyl-5-[2-[4-[1-naphthalenyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: (4S)-4-methyl-5-[2-[4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: (4S)-4-methyl-5-[2-[4-(1-naphthoyl)piperazin-1-ium-1-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H28N4O3/c1-19-17-25(32)28-23-11-4-5-12-24(23)31(19)26(33)18-29-13-15-30(16-14-29)27(34)22-10-6-8-20-7-2-3-9-21(20)22/h2-12,19H,13-18H2,1H3,(H,28,32)/p+1/t19-/m0/s1