1-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-oxo-propyl]urea CAS Name: 1-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]propyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-oxopropyl]urea Traditional Name: 1-benzyl-3-[3-(4-benzyl-1,4-diazepan-4-ium-1-yl)-3-keto-propyl]urea Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)CCNC(=O)NCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)CCNC(=O)NCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c28-22(12-13-24-23(29)25-18-20-8-3-1-4-9-20)27-15-7-14-26(16-17-27)19-21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H2,24,25,29)/p+1