1-[(3S)-1-(1-adamantylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea

Systemtic Name: 1-[(3S)-1-(1-adamantylmethyl)-2,4-bis(oxidanylidene)-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Openeye Name: 1-[(3S)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea CAS Name: 1-[(3S)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea IUPAC Name: 1-[(3S)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea Traditional Name: 1-[(3S)-1-(1-adamantylmethyl)-2,4-diketo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenyl-urea Formula: C33H34N4O3 MolecularWeight: 534.64806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)C(C4=O)NC(=O)NC6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=CC=CC=C5N(C(=O)[C@H](C4=O)NC(=O)NC6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-33/h1-14,22-24,29H,15-21H2,(H2,34,35,40)/t22?,23?,24?,29-,33?/m0/s1