1-(3-methoxyphenyl)-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea

Systemtic Name: 1-(3-methoxyphenyl)-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea CAS Name: 1-(3-methoxyphenyl)-3-[1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[2-keto-1-[2-keto-2-(4-methylpiperazino)ethyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methoxyphenyl)urea Formula: C30H32N6O4 MolecularWeight: 540.61288

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C30H32N6O4/c1-34-15-17-35(18-16-34)26(37)20-36-25-14-7-6-13-24(25)27(21-9-4-3-5-10-21)32-28(29(36)38)33-30(39)31-22-11-8-12-23(19-22)40-2/h3-14,19,28H,15-18,20H2,1-2H3,(H2,31,33,39)