1-[(6aS,8S)-6,11-bis(oxidanylidene)-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enyl-urea

Systemtic Name: 1-[(6aS,8S)-6,11-bis(oxidanylidene)-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enyl-urea Openeye Name: 1-[(6aS,8S)-6,11-dioxo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3-allyl-urea CAS Name: 1-[(6aS,8S)-6,11-dioxo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enylurea IUPAC Name: 1-[(6aS,8S)-6,11-dioxo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3-prop-2-enylurea Traditional Name: 1-[(6aS,8S)-6,11-diketo-2-phenyl-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]-3-allyl-urea Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1CC2C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4)C(=O)N2C1

Isomeric SMILES

C=CCNC(=O)N[C@H]1C[C@H]2C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4)C(=O)N2C1

InChI

InChI=1S/C22H22N4O3/c1-2-10-23-22(29)24-16-12-19-20(27)25-18-9-8-15(14-6-4-3-5-7-14)11-17(18)21(28)26(19)13-16/h2-9,11,16,19H,1,10,12-13H2,(H,25,27)(H2,23,24,29)/t16-,19-/m0/s1